Ground and low-lying valence states of BN: A CI study
作者： Shashi P. Karna , Friedrich Grein
DOI: 10.1016/0301-0104(85)80134-8
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摘要: Abstract Using double-zeta basis sets with polarization functions, potential curves for 23 valence states of BN ( 13 Σ + , − π and Δ states) were obtained by MRD CI methods. All found to be stable or metastable. Spectroscopic constants are given. 1 3 has been confirmed the ground state BN, lower in energy than only 0.10 eV. The equilibrium distance 2 disagrees experimental values, which considered approximate only. Comparison spectroscopic C CN BeO shows many similarities.
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